4-[(2-propoxyethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 47160
• Molecular Formular: C11H24ClNO2
• Molecular Mass: 237.76676
• Monoisotopic Mass: 237.14955669
• SMILES: N1CCC(COCCOCCC)CC1.Cl
• Canonical SMILES: CCCOCCOCC1CCNCC1.Cl
• InChI: InChI=1S/C11H23NO2.ClH/c1-2-7-13-8-9-14-10-11-3-5-12-6-4-11;/h11-12H,2-10H2,1H3;1H
• InChIKey: LHOGHHOABJDHBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-propoxyethoxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[(2-propoxyethoxy)methyl]piperidine hydrochloride
• Synonyms: 4-[(2-Propoxyethoxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561042
• PubChem SID: 162051923
• PubChem CID: 56831041

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1701584
• LogD (pH = 7.4): -1.7094038
• Log P: 1.0612632
• Molar Refractivity: 58.303 cm^3
• Polarizability: 23.170424 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false